4,4-bis(methoxymethyl)-1-(2-methylprop-1-enyl)cyclopentene

C13H22O2 — CID 102044943

IUPAC4,4-bis(methoxymethyl)-1-(2-methylprop-1-enyl)cyclopentene
SMILESCOCC1(COC)CC=C(C=C(C)C)C1
InChIInChI=1S/C13H22O2/c1-11(2)7-12-5-6-13(8-12,9-14-3)10-15-4/h5,7H,6,8-10H2,1-4H3
InChIKeyFHYDILMOIYIASK-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.95
Rot. Bonds5

About 4,4-bis(methoxymethyl)-1-(2-methylprop-1-enyl)cyclopentene

4,4-bis(methoxymethyl)-1-(2-methylprop-1-enyl)cyclopentene (PubChem CID 102044943) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 4,4-bis(methoxymethyl)-1-(2-methylprop-1-enyl)cyclopentene.

Molecular Properties

Compound Name4,4-bis(methoxymethyl)-1-(2-methylprop-1-enyl)cyclopentene
PubChem CID102044943
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name4,4-bis(methoxymethyl)-1-(2-methylprop-1-enyl)cyclopentene
SMILESCOCC1(COC)CC=C(C=C(C)C)C1
InChIInChI=1S/C13H22O2/c1-11(2)7-12-5-6-13(8-12,9-14-3)10-15-4/h5,7H,6,8-10H2,1-4H3
InChIKeyFHYDILMOIYIASK-UHFFFAOYSA-N
XLogP2.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-bis(methoxymethyl)-1-(2-methylprop-1-enyl)cyclopentene?
The IUPAC name of 4,4-bis(methoxymethyl)-1-(2-methylprop-1-enyl)cyclopentene (CID 102044943) is 4,4-bis(methoxymethyl)-1-(2-methylprop-1-enyl)cyclopentene.
What is the SMILES notation for 4,4-bis(methoxymethyl)-1-(2-methylprop-1-enyl)cyclopentene?
The canonical SMILES for 4,4-bis(methoxymethyl)-1-(2-methylprop-1-enyl)cyclopentene is COCC1(COC)CC=C(C=C(C)C)C1.
What is the InChIKey of 4,4-bis(methoxymethyl)-1-(2-methylprop-1-enyl)cyclopentene?
The InChIKey is FHYDILMOIYIASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-11(2)7-12-5-6-13(8-12,9-14-3)10-15-4/h5,7H,6,8-10H2,1-4H3.
What are the key properties of 4,4-bis(methoxymethyl)-1-(2-methylprop-1-enyl)cyclopentene?
4,4-bis(methoxymethyl)-1-(2-methylprop-1-enyl)cyclopentene has a molecular weight of 210.32 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(methoxymethyl)-1-(2-methylprop-1-enyl)cyclopentene is sourced from PubChem (CID 102044943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).